2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile Openeye Name: 2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile CAS Name: 2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile Traditional Name: 2-[[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]methyl]hexanenitrile Formula: C15H17ClN4 MolecularWeight: 288.77528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC(=N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCCCC(CN1C=NC(=N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H17ClN4/c1-2-3-4-12(9-17)10-20-11-18-15(19-20)13-5-7-14(16)8-6-13/h5-8,11-12H,2-4,10H2,1H3